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5 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

On Ba(+) production in the CRIT 2 experiment

Analysis of partical data from the CRIT 2 experiment, studying Alfven's critical ionization velocity (CIV) effect, shows that the density of newly created ions (presumably Ba(+) from the shaped-charge beam) is consistent with the increase in total plasma density measured by the independent RF plasma probe on board (Swenson et al., 1990) at the most active time period. We model this ion production using the measured electron flux data and the neutral barium model of Stenbaek-Nielsen et al. (1990a). To identify the main source mechanisms which may contribute most to the barium ionization, a simple model for the barium ion density at the payload location is developed based on Liouvilles theorem. We estimate that the electron impact ionization is responsible for 90% of the barium ion production observed by CRIT 2 in the first release and up to 45% in the second release. By employing a two-state approximation calculation (Rapp and Francis, 1962), the Ba-O(+) charge exchange cross section is found to range from about 2.0 X 10(exp -17) sq cm at a velocity of 4 km/s to 2.0 X 10(exp -15) sq cm at a velocity of 20 km/s. This result suggests that the Ba-O(+) charge exchange is probably dominant among all the non-CIV ionization processes. By considering the charge exchange process in our density model, the barrium ion densities are calculated for the two releases on CRIT II. The comparison between the model results and the observed data is found to be resonably consistent if the cross sections, as calculated above, are multiplied by 0.3 for the first release and 1.0 for the second release. Our result suggests that the charge exchange process could be the most important non-CIV ionization mechanism in the CRIT II experiment and it should be considered carefully case by case in CIV experiments.

Liou, K.↗
DOE OSTI2021

Hard x-ray methods for studying the structure of amorphous thin films and bulk glassy oxides

High-energy photon diffraction minimizes many of the corrections associated with laboratory x-ray diffractometers, and enables structure factor measurements to be made over a wide range of momentum transfers. The method edges us closer toward an ideal experiment, in which coordination numbers can be extracted without knowledge of the sample density. Three case studies are presented that demonstrate new hard x-ray methods for studying the structure of glassy and amorphous materials. First, the methodology and analysis of high-energy grazing incidence on thin films is discussed for the case of amorphous In 2 O 3 . Additionally, the connectivity of irregular InO 6 polyhedra are shown to exist in face-, edge- and corner-shared configurations in the approximate ratio of 1:2:3. Secondly, the technique of high-energy small and wide angle scattering has been carried out on laser heated and aerodynamically levitated samples of silica-rich barium silicate (20BaO:80SiO 2 ), from the single phase melt at 1500 C-o to the phase separated glass at room temperature. Based on Ba-O coordination numbers of 6 to 7, it is argued that the although the potential of Ba is ionic, it is weak enough to cause the liquid-liquid immiscibility to become metastable. Lastly, high-energy small and wide angle scattering has also been applied to high water content (up to 12 wt.%) samples of hydrous SiO 2 glass quenched from 1500 C-o at 4 GPa. An increase of Si 1 O 2 correlations at 4.3 angstrom is found to be consistent with an increase in the population of three-membered SiO 4 rings at the expense of larger rings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Disentangling the role of bond lengths and orbital symmetries in controlling $T_c$ of optimally doped YBa 2 Cu 3 O 7

Optimally doped YBa 2 Cu 3 O 7 (YBCO) has a high critical temperature, at 92 K. It is largely believed that Cooper pairs form in YBCO and other cuprates because of spin fluctuations, but the issue and the detailed mechanism are far from settled. In the present work, we employ a state-of-the-art first-principles ability to compute both the low- and high-energy spin fluctuations in optimally doped YBCO. We benchmark our results against recent inelastic neutron scattering and resonant inelastic x-ray scattering measurements. Further, we use strain as an external parameter to modulate the spin fluctuations and superconductivity. We disentangle the roles of barium-apical oxygen hybridization, interlayer coupling, and orbital symmetries by applying an idealized strain, and also a strain with a fully relaxed structure. We show that shortening the distance between Cu layers is conducive to enhanced Fermi surface nesting, which increases spin fluctuations and drives up $T_c$. However, when the structure is fully relaxed, electrons flow to the $d_{z^2}$ orbital as a consequence of a shortened Ba-O bond, which is detrimental for superconductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Materials Data on BaO by Materials Project

BaO is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent O2- atoms to form corner-sharing BaO4 tetrahedra. All Ba–O bond lengths are 2.61 Å. O2- is bonded to four equivalent Ba2+ atoms to form corner-sharing OBa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaO10 by Materials Project

BaO10 crystallizes in the tetragonal P4/mcc space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one BaO8 ribbon oriented in the (0, 0, 1) direction. In the BaO8 ribbon, Ba is bonded in a 8-coordinate geometry to eight equivalent O atoms. All Ba–O bond lengths are 2.82 Å. O is bonded in a bent 120 degrees geometry to one Ba and one O atom. The O–O bond length is 1.27 Å.

36 MATERIALS SCIENCE↗